Changeset 7b1824 for src/Python/PythonScripting_impl.hpp

Timestamp:

May 19, 2021, 7:06:29 PM (4 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

867fb5

Parents:

6b7765

git-author:

Frederik Heber <frederik.heber@…> (04/22/19 23:02:02)

git-committer:

Frederik Heber <frederik.heber@…> (05/19/21 19:06:29)

Message:

Exporting numpy getter/setter for positions, velocities, forces.

File:

• src/Python/PythonScripting_impl.hpp (modified) (3 diffs)

src/Python/PythonScripting_impl.hpp

@@ -19 +19 @@
 #include <boost/python/module.hpp>
 #include <boost/python/args.hpp>
+#include <boost/python/numpy.hpp>
 
 #include "CodePatterns/toString.hpp"
@@ -73 +74 @@
 } /* namespace MoleCuilder */
 
+void export_numpy();
 
 BOOST_PYTHON_MODULE(pyMoleCuilder)
@@ -80 +82 @@
   atexit(MoleCuilder::detail::module_exit);
 
+  // initialize numpy C-API
+  boost::python::numpy::initialize();
+
   // set the docstring of the current module scope
   boost::python::scope().attr("__doc__") = "pyMolecuilder are the python bindings to all Actions of the program suite MoleCuilder.\n\nMoleCuilder is a program to build molecular (dynamics) worlds, allowing you indefinite manipulation, control and analysis over the atoms and molecules within a simulation domain.";
+
+  export_numpy();
 
   boost::python::def(